3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin
TL;DR: 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin (CAS 158550-93-7) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,10-dimethyl-3-pentyl-7a,8,9,11a-tetrahydro-6H-benzo[d][1]benzoxepine-1,7-diol
Also Known As: 3-PEHHDO, 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin, 7,10-dimethyl-3-pentyl-7a,8,9,11a-tetrahydro-6H-benzo[d][1]benzoxepine-1,7-diol, Dibenz(b,d)oxepin-1,7-diol, 6,7,7a,8,9,11a-hexahydro-7,10-dimethyl-3-pentyl-, 10,14-dimethyl-5-pentyl-8-oxatricyclo[9.4.0.02,7]pentadeca-2,4,6,14-tetraene-3,10-diol
Technical Specifications
| Molecular Formula | C21H30O3 |
| Molecular Weight | 330.21948 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.21948 Da |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
| SMILES | CCCCCC1=CC(=C2C3C=C(CCC3C(COC2=C1)(C)O)C)O |
| InChIKey | FHBKGUVKPKDHKT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin
Property Insights of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin
The XLogP value of 5.9 indicates that 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin?
The CAS number of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin is 158550-93-7.
What is the molecular formula of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin?
The molecular formula of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin is C21H30O3.
What is the molecular weight of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin?
The molecular weight of 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin is 330.21948 g/mol.
Where can I buy 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin?
You can request a quote for 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin?
Yes, CoreyChem provides custom synthesis services for 3-Pentyl-6,7,7a,8,9,11a-hexahydro-1,7-dihydroxy-7,10-dimethyldibenzo(b,d)oxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.